SCHEMBL20595698

SCHEMBL20595698

Nc1nc(C(F)(F)F)nc(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
PDE8B O95263 1/20 0.30
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13522226 0.83 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL175478 0.73 ALDH1A1 (0.33) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6003419 0.73 TSHR (0.43) MAPTALDH1A1GAATSHRLMNA
SCHEMBL24228122 0.73 TSHR (0.43) MAPTALDH1A1GAATSHRLMNA
SCHEMBL20013040 0.72 LMNA (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6401815 0.72 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL1759415 0.72 MEN1 (0.37) TSHRLMNA
SCHEMBL13978873 0.69
SCHEMBL18162675 0.69 HSP90AA1 (0.31)
SCHEMBL6033472 0.69 PDE10A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 PDE4A 2919/4885PDE4B 3453/4885PDE4C 3173/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR PDE4A 3076/4885PDE4B 3449/4885PDE4C 3150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.